| Identification | More | [Name]
Biphenyl-4,4'-dicarboxylic acid | [CAS]
787-70-2 | [Synonyms]
4,4'-BIBENZOIC ACID
4,4'-BIPHENYLDICARBOXYLIC ACID
4,4'-BISBENZOIC ACID
4,4'-DIBENZOIC ACID
4,4'-DICARBOXYDIPHENYL
4,4'-DIPHENIC ACID
4,4'-DIPHENYLDICARBOXYLIC ACID
BIBENZOIC ACID
BIPHENYL-4,4'-DICARBOXYLIC ACID
DIPHENYL-4,4'-DICARBOXYLIC ACID
LABOTEST-BB LT00452839
P,P'-BIPHENYLDICARBOXYLIC ACID
P,P'-DIPHENIC ACID
RARECHEM AL BO 0295
(1,1’-Biphenyl)-4,4’-dicarboxylicacid
[1,1’-biphenyl]-4,4’-dicarboxylicacid
usafdo-69
4-BiphenyldicarboxylicAcid
4,4'-Dicarboxybiphenyl
4-(4-Carboxyphenyl)benzoic acid | [EINECS(EC#)]
212-328-3 | [Molecular Formula]
C14H10O4 | [MDL Number]
MFCD00002554 | [Molecular Weight]
242.23 | [MOL File]
787-70-2.mol |
| Chemical Properties | Back Directory | [Appearance]
White to light beige powder | [Melting point ]
>300 °C(lit.)
| [Boiling point ]
482.5±38.0 °C(Predicted) | [density ]
1.347±0.06 g/cm3(Predicted) | [storage temp. ]
Sealed in dry,Room Temperature | [form ]
Powder | [pka]
3.77±0.10(Predicted) | [color ]
White to light beige | [BRN ]
523308 | [InChI]
InChI=1S/C14H10O4/c15-13(16)11-5-1-9(2-6-11)10-3-7-12(8-4-10)14(17)18/h1-8H,(H,15,16)(H,17,18) | [InChIKey]
NEQFBGHQPUXOFH-UHFFFAOYSA-N | [SMILES]
C1(C2=CC=C(C(O)=O)C=C2)=CC=C(C(O)=O)C=C1 | [CAS DataBase Reference]
787-70-2(CAS DataBase Reference) | [EPA Substance Registry System]
787-70-2(EPA Substance) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi,Xn | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin .
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S37/39:Wear suitable gloves and eye/face protection .
S36:Wear suitable protective clothing . | [WGK Germany ]
3
| [RTECS ]
DV2975000
| [HS Code ]
29173990 |
| Hazard Information | Back Directory | [Chemical Properties]
White to light beige powder | [Uses]
Dendrimer building block. | [Purification Methods]
The dicarboxylic acid is a white amorphous or microcrystalline substance which does not melt or sublime. It is best purified by precipitation of an aqueous alkaline solution with mineral acid, washing well with H2O and drying in vacuo at 100o. It is characterized by conversion to diphenyl-4,4’-dicarbonyl chloride (with PCl5 [Work J Chem Soc 1317 1940], or by phase transfer catalysis with SOCl2 + BuEt3N+Cl-in 1,2-dichloroethane [Burdett Synthesis 441 1991]) which crystallises from *C6H6 with m 184o. The di-acid chloride gives the dimethyl ester with MeOH, and has m 215-217o (plates from MeOH, m’s of 214o and 224o were also reported). The diethyl ester is similarly prepared with EtOH and has m 122o (from EtOH). [Beilstein 9 II 665, 9 III 4519, 9 IV 3563.] |
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